NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1005 H 4.7847 8.4444 116.3392 54.9105 30.7288 172.7885 1006 F 4.5499 7.9656 122.4593 55.9052 40.4166 173.5204 1007 F 4.2852 7.5585 128.3530 55.9817 42.8515 173.4816 1008 E 3.9196 7.1167 128.5836 54.3286 28.8409 175.6417 1009 G 3.6595 8.2059 116.5475 48.1980 0.0000 173.1618 1010 T 3.7715 7.7945 116.6197 64.0061 68.6215 173.9241 1011 E 4.4063 8.5137 126.0316 55.1614 31.1870 175.3461 1012 K 4.5330 8.3276 118.6600 54.5465 34.3722 175.6542 1013 L 4.6646 8.5253 125.2647 52.8554 44.1860 174.9218 1014 L 4.7199 8.4531 127.1061 53.0339 44.4652 174.9527 1015 E 4.5200 8.6543 125.5229 54.3850 32.3429 174.3426 1016 V 4.2865 8.1545 124.9367 60.6524 34.2804 174.1473 1017 W 4.5820 8.6826 126.5583 55.0019 30.6503 175.6135 1018 F 4.8325 8.6488 121.8752 56.2147 39.9879 175.9900 1019 S 4.1897 8.5620 119.1386 61.3966 62.5825 176.1252 *1028 G 3.8656 7.1504 108.7716 43.9686 0.0000 172.0629 1029 S 4.4310 7.8980 118.4364 58.2323 69.6577 177.6199 1030 G 3.8885 10.0630 106.3454 45.1752 0.0000 172.3844 1031 D 4.5048 7.5785 118.5011 52.7730 44.3694 176.3355 1032 L 4.0941 8.6697 127.0843 57.6763 41.8798 178.7927 1033 R 4.3228 8.5238 115.9172 57.1352 29.4957 177.2521 1034 T 4.2906 7.5615 114.9437 64.1074 69.1679 175.1894 1035 I 3.7187 7.5742 123.5973 59.8282 37.7213 174.8055 1036 P 4.3130 0.0000 0.0000 62.4399 32.8394 177.2705 1037 R 4.1528 8.7369 121.6104 59.7161 30.2362 178.7863 1038 S 4.2737 7.9659 113.4887 61.5714 63.1557 176.1455 1039 E 3.8288 7.9606 122.0947 58.7673 29.3062 179.2626 1040 W 4.6954 7.7818 118.4418 59.7529 28.9836 178.4539 1041 D 4.3786 8.0797 119.0758 57.2984 40.3711 178.4822 1042 I 3.6671 7.6930 118.6536 64.0306 37.8387 177.4031 1043 L 4.0065 7.7629 119.9644 58.3096 42.3425 178.6892 1044 L 4.1890 8.0092 118.5924 57.4540 41.5811 179.3104 1045 K 4.1355 8.6631 120.2001 59.4556 31.9150 178.5535 1046 D 4.5625 8.1634 118.2165 56.1222 40.6560 177.3851 1047 V 4.3489 7.2213 111.8565 60.8575 32.1905 175.3881 1048 Q 3.5077 7.9764 116.1299 56.5263 26.4086 172.7128 1049 C 4.6021 7.4711 109.8131 58.4353 32.2164 171.5685 1050 S 4.5816 7.7584 114.6523 57.9388 67.9127 175.3804 1051 I 4.1867 8.4734 122.1331 62.2707 36.5044 176.5555 1052 I 4.3187 8.9756 128.8802 63.2981 38.5601 175.8528 1053 S 4.6810 7.6599 114.0515 57.5930 66.2266 173.6937 1054 V 4.6302 8.0561 118.9338 61.6983 34.8052 174.4852 1055 T 4.5548 8.3870 122.5257 62.2161 72.7369 173.3564 1056 K 4.9594 8.5732 125.3663 55.1456 35.1200 175.3139 1057 T 4.6192 8.4374 110.2872 60.3983 71.8155 173.6762 1058 D 4.5721 8.9448 122.7305 57.8310 41.0025 178.8917 1059 K 4.1405 8.1038 116.4359 58.9256 32.4655 176.5378 1060 Q 4.5487 7.8610 114.5376 54.8009 31.7873 172.7568 1061 E 4.9556 8.4990 115.9966 54.6830 32.8306 175.1683 1062 A 4.7201 8.6424 127.0236 50.3830 21.3176 175.0136 1063 Y 5.0828 8.5997 119.3208 56.0832 41.5012 175.1326 1064 V 4.2945 8.3431 122.8611 61.5627 33.3845 174.6958 1065 L 5.0764 8.4203 127.5055 53.5535 43.4700 177.7865 1066 S 4.5019 8.9519 118.2696 58.0267 65.7968 173.9575 1067 E 4.0096 8.7807 120.0504 57.0957 29.2931 177.8911 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1005 H 8.44 4.78 0.00 3.33 3.57 0.00 5.48 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1006 F 7.97 4.55 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1007 F 7.56 4.29 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1008 E 7.12 3.92 0.00 1.86 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 1009 G 8.21 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1010 T 7.79 3.77 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1011 E 8.51 4.41 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 1012 K 8.33 4.53 0.00 1.69 1.69 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.35 7.81 1013 L 8.53 4.66 0.00 1.53 1.52 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 1014 L 8.45 4.72 0.00 1.57 1.47 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 1015 E 8.65 4.52 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 1016 V 8.15 4.29 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.84 0.00 0.00 1017 W 8.68 4.58 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1018 F 8.65 4.83 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1019 S 8.56 4.19 0.00 3.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1028 G 7.15 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1029 S 7.90 4.43 0.00 3.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1030 G 10.06 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1031 D 7.58 4.50 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1032 L 8.67 4.09 0.00 1.82 1.87 1.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 1033 R 8.52 4.32 0.00 1.99 2.02 0.00 3.18 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.67 0.00 1034 T 7.56 4.29 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1035 I 7.57 3.72 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.53 -0.35 0.00 0.00 1036 P 0.00 4.31 0.00 2.01 1.90 0.00 3.32 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 1037 R 8.74 4.15 0.00 1.90 2.04 0.00 3.52 0.00 0.00 3.53 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 1038 S 7.97 4.27 0.00 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1039 E 7.96 3.83 0.00 1.66 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 1040 W 7.78 4.70 0.00 3.46 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1041 D 8.08 4.38 0.00 2.97 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1042 I 7.69 3.67 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.35 0.93 0.00 0.00 1043 L 7.76 4.01 0.00 1.76 1.95 1.12 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 1044 L 8.01 4.19 0.00 2.00 1.86 0.86 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 1045 K 8.66 4.14 0.00 1.90 1.98 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 1046 D 8.16 4.56 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1047 V 7.22 4.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.04 0.00 0.00 1048 Q 7.98 3.51 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 1049 C 7.47 4.60 0.00 3.03 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1050 S 7.76 4.58 0.00 3.70 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1051 I 8.47 4.19 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 1.14 0.00 0.00 1052 I 8.98 4.32 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.91 0.00 0.00 1053 S 7.66 4.68 0.00 3.83 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1054 V 8.06 4.63 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 1.03 0.00 0.00 1055 T 8.39 4.55 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1056 K 8.57 4.96 0.00 1.56 1.66 0.00 1.73 0.00 0.00 1.97 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.29 7.81 1057 T 8.44 4.62 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1058 D 8.94 4.57 0.00 2.69 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1059 K 8.10 4.14 0.00 1.75 1.87 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.39 7.81 1060 Q 7.86 4.55 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 1061 E 8.50 4.96 0.00 1.87 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 1062 A 8.64 4.72 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1063 Y 8.60 5.08 0.00 2.66 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1064 V 8.34 4.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 1065 L 8.42 5.08 0.00 1.57 1.57 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 1066 S 8.95 4.50 0.00 3.83 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1067 E 8.78 4.01 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.